[9-phenethyl-6-(phenylmethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [9-phenethyl-6-(phenylmethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] 3,4,5-trimethoxybenzoate Openeye Name: (6-benzyl-9-phenethyl-1,2,3,4-tetrahydrocarbazol-3-yl) 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [9-phenethyl-6-(phenylmethyl)-1,2,3,4-tetrahydrocarbazol-3-yl] ester IUPAC Name: (6-benzyl-9-phenethyl-1,2,3,4-tetrahydrocarbazol-3-yl) 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (6-benzyl-9-phenethyl-1,2,3,4-tetrahydrocarbazol-3-yl) ester Formula: C37H37NO5 MolecularWeight: 575.69338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2CCC3=C(C2)C4=C(N3CCC5=CC=CC=C5)C=CC(=C4)CC6=CC=CC=C6

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2CCC3=C(C2)C4=C(N3CCC5=CC=CC=C5)C=CC(=C4)CC6=CC=CC=C6

InChI

InChI=1S/C37H37NO5/c1-40-34-22-28(23-35(41-2)36(34)42-3)37(39)43-29-15-17-33-31(24-29)30-21-27(20-26-12-8-5-9-13-26)14-16-32(30)38(33)19-18-25-10-6-4-7-11-25/h4-14,16,21-23,29H,15,17-20,24H2,1-3H3